⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28308134 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL28180015 | 0.94 | — | — | |
| Trifluoroacetic Acid SCHEMBL30184173 | 0.84 | — | — | |
| SCHEMBL27467255 | 0.73 | — | — | |
| SCHEMBL9008685 | 0.71 | — | — | |
| SCHEMBL8936517 | 0.71 | — | — | |
| Benzene SCHEMBL28267402 | 0.71 | — | — | |
| SCHEMBL13766512 | 0.69 | — | — | |
| SCHEMBL1736176 | 0.69 | — | — | |
| SCHEMBL28247659 | 0.68 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110256269-A | A kind of water solubility Propofol analog derivative and application thereof | 江苏恩华络康药物研发有限公司 | 2019-09-20 | — | — | CN | disclosed |